Molecule Viewer


Calculation failed

INPUT FOR ISOTROPIC DIELECTRICS
-------------------------------
EPS= 78.39
INPUT FOR CAVITY DEFINITION
---------------------------
ATOM COORDINATES RADIUS EPS
1 1.0438 -0.2366 0.9135 1.8100 78.3900
2 0.9114 0.3555 -0.8707 0.0000 78.3900
**** ERROR **** PCM SPHERE(S) MUST HAVE A POSITIVE RADIUS
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Tue Jul 21 03:09:08 2020